Information card for entry 7042443

Structure parameters

• Formula: C29 H43 F3 Ni O2 P2 S
• Calculated formula: C29 H43 F3 Ni O2 P2 S
• SMILES: c1cc2O[P]([Ni]3(Sc4ccc(cc4)C(F)(F)F)[P](Oc(c23)c1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.
• Authors of publication: Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4504 - 4509
• a: 11.1235 ± 0.0011 Å
• b: 15.9839 ± 0.0015 Å
• c: 18.1662 ± 0.0017 Å
• α: 90°
• β: 91.3393 ± 0.0011°
• γ: 90°
• Cell volume: 3229 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No